2-[[2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[5-(diaminomethylideneamino)-2-[(2,5-diamino-5-oxopentanoyl)amino]pentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-valeric acid Formula: C54H101N25O18 MolecularWeight: 1388.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)N)O

Isomeric SMILES

CC(C(C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)N)O

InChI

InChI=1S/C54H101N25O18/c1-25(81)39(78-45(90)29(11-4-6-18-56)71-42(87)30(12-7-19-67-52(61)62)70-41(86)27(57)15-16-36(58)83)49(94)73-28(10-3-5-17-55)44(89)75-33(22-37(59)84)47(92)77-35(24-80)48(93)79-40(26(2)82)50(95)76-34(23-38(60)85)46(91)72-31(13-8-20-68-53(63)64)43(88)74-32(51(96)97)14-9-21-69-54(65)66/h25-35,39-40,80-82H,3-24,55-57H2,1-2H3,(H2,58,83)(H2,59,84)(H2,60,85)(H,70,86)(H,71,87)(H,72,91)(H,73,94)(H,74,88)(H,75,89)(H,76,95)(H,77,92)(H,78,90)(H,79,93)(H,96,97)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)